4-[[2-(3-fluoro-2-pyridinyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide

C22H24FN5O2 — CID 118211120

IUPAC4-[[2-(3-fluoro-2-pyridinyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide
SMILESCC(O)CNC(=O)c1cnccc1Nc1cc(-c2ncccc2F)ncc1C(C)C
InChIInChI=1S/C22H24FN5O2/c1-13(2)15-12-26-20(21-17(23)5-4-7-25-21)9-19(15)28-18-6-8-24-11-16(18)22(30)27-10-14(3)29/h4-9,11-14,29H,10H2,1-3H3,(H,27,30)(H,24,26,28)
InChIKeyKRWMWZCGGRZYDC-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.66
Rot. Bonds7

About 4-[[2-(3-fluoro-2-pyridinyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide

4-[[2-(3-fluoro-2-pyridinyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide (PubChem CID 118211120) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 4-[[2-(3-fluoro-2-pyridinyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(3-fluoro-2-pyridinyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide
PubChem CID118211120
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name4-[[2-(3-fluoro-2-pyridinyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide
SMILESCC(O)CNC(=O)c1cnccc1Nc1cc(-c2ncccc2F)ncc1C(C)C
InChIInChI=1S/C22H24FN5O2/c1-13(2)15-12-26-20(21-17(23)5-4-7-25-21)9-19(15)28-18-6-8-24-11-16(18)22(30)27-10-14(3)29/h4-9,11-14,29H,10H2,1-3H3,(H,27,30)(H,24,26,28)
InChIKeyKRWMWZCGGRZYDC-UHFFFAOYSA-N
XLogP3.66
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-fluoro-2-pyridinyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide?
The IUPAC name of 4-[[2-(3-fluoro-2-pyridinyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide (CID 118211120) is 4-[[2-(3-fluoro-2-pyridinyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-(3-fluoro-2-pyridinyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 4-[[2-(3-fluoro-2-pyridinyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide is CC(O)CNC(=O)c1cnccc1Nc1cc(-c2ncccc2F)ncc1C(C)C.
What is the InChIKey of 4-[[2-(3-fluoro-2-pyridinyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide?
The InChIKey is KRWMWZCGGRZYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-13(2)15-12-26-20(21-17(23)5-4-7-25-21)9-19(15)28-18-6-8-24-11-16(18)22(30)27-10-14(3)29/h4-9,11-14,29H,10H2,1-3H3,(H,27,30)(H,24,26,28).
What are the key properties of 4-[[2-(3-fluoro-2-pyridinyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide?
4-[[2-(3-fluoro-2-pyridinyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 3.66, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-fluoro-2-pyridinyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 118211120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).